SCHEMBL5564923

SCHEMBL5564923

CN(C)CCCOc1ccc2sc(C(=O)O)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.56
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 6/20 0.50
CLK1 P49759 4/20 0.49
DYRK1A Q13627 3/20 0.49
DYRK1B Q9Y463 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CLK2 P49760 1/20 0.44
THRA P10827 1/20 0.44
LSS P48449 1/20 0.43
BCL2L1 Q07817 1/20 0.43
LMNA P02545 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5564274 0.94 KDM4E (0.58) TBXAS1KDM4EALDH1A1CLK1DYRK1A
SCHEMBL7336540 0.83 TBXAS1 (0.57) TBXAS1
SCHEMBL18893480 0.83 KDM4E (0.58) TBXAS1KDM4EALDH1A1PDGFRBPDGFRA
SCHEMBL5564937 0.83 TBXAS1 (0.59) TBXAS1CLK1DYRK1ADYRK1BCLK2
SCHEMBL5566031 0.82 TBXAS1 (0.54) TBXAS1KDM4EALDH1A1CLK1DYRK1A
SCHEMBL5559819 0.82 TBXAS1 (0.61) TBXAS1CLK1DYRK1ADYRK1BCLK2
SCHEMBL5764549 0.81 TBXAS1 (0.56) TBXAS1KDM4EALDH1A1CLK1DYRK1A
SCHEMBL5565054 0.80 TBXAS1 (0.56) TBXAS1KDM4ECLK1DYRK1ADYRK1B
SCHEMBL18893482 0.79 HPGD (0.51) TBXAS1KDM4EALDH1A1CLK1DYRK1A
SCHEMBL26109906 0.77 TBXAS1 (0.58) TBXAS1KDM4EALDH1A1SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US claimed
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP claimed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 US claimed
US-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HDAC1, HDAC11, HDAC7 TBXAS1 3283/4885KDM4E 137/4885ALDH1A1 189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.